N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide

C12H21F2NO — CID 89352172

IUPACN-(7,7-difluoroheptyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCCCCC(F)F
InChIInChI=1S/C12H21F2NO/c1-3-12(16)15(4-2)10-8-6-5-7-9-11(13)14/h3,11H,1,4-10H2,2H3
InChIKeyIQNYFGRWHBTMDQ-UHFFFAOYSA-N
MW233.30 g/mol
LogP3.24
Rot. Bonds9

About N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide

N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide (PubChem CID 89352172) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-(7,7-difluoroheptyl)-N-ethylprop-2-enamide
PubChem CID89352172
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC NameN-(7,7-difluoroheptyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCCCCC(F)F
InChIInChI=1S/C12H21F2NO/c1-3-12(16)15(4-2)10-8-6-5-7-9-11(13)14/h3,11H,1,4-10H2,2H3
InChIKeyIQNYFGRWHBTMDQ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide?
The IUPAC name of N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide (CID 89352172) is N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide.
What is the SMILES notation for N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide?
The canonical SMILES for N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide is C=CC(=O)N(CC)CCCCCCC(F)F.
What is the InChIKey of N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide?
The InChIKey is IQNYFGRWHBTMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-3-12(16)15(4-2)10-8-6-5-7-9-11(13)14/h3,11H,1,4-10H2,2H3.
What are the key properties of N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide?
N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide has a molecular weight of 233.30 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-difluoroheptyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 89352172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).